ethyl 3-(1,3-benzodioxol-5-yl)propanoate -Drug Synthesis Database

【结构式】

【分子编号】37083

【品名】ethyl 3-(1,3-benzodioxol-5-yl)propanoate

【CA登记号】

【分子式】C₁₂H₁₄O₄

【分子量】222.24076

【元素组成】C 64.85% H 6.35% O 28.8%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号：(V)

The cyclization of ethyl 3-(3,4-ethylenedioxyphenyl)propionate (V), ethyl formate (VI) and thiourea (VII) by means of Na in ether and ethanol gives 5-(3,4-methylenedioxyphenyl)-2-thiouracil (VIII), which by reaction with methyl iodide and NaOH in ethanol-water is converted into 5-(3,4-methylenedioxybenzyl)-2-methylthio-4-pyrimidone (IX). Finally, this compound is condensed with (IV) by heating at 150 C.

参考文献中间体

合成目标

【1】 Brown, T.H.; DE 2660563 .
【2】 Blancafort, P.; Castaner, J.; Serradell, M.N.; Oxmetidine hydrochloride. Drugs Fut 1982, 7, 10, 749.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(IV)	34071	2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]-1-ethanamine; 2-[[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl]ethylamine		C₇H₁₃N₃S	详情	详情
(V)	37083	ethyl 3-(1,3-benzodioxol-5-yl)propanoate		C₁₂H₁₄O₄	详情	详情
(VII)	10180	Thiourea	62-56-6	CH₄N₂S	详情	详情
(VIII)	37084	5-(1,3-benzodioxol-5-ylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone		C₁₂H₁₀N₂O₃S	详情	详情
(IX)	37085	5-(1,3-benzodioxol-5-ylmethyl)-2-(methylsulfanyl)-4(1H)-pyrimidinone		C₁₃H₁₂N₂O₃S	详情	详情

Extended Information